1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one

C15H22N2O2 — CID 155428853

IUPAC1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one
SMILESCCCCCc1noc(C2CC2)c1N1CCCC1=O
InChIInChI=1S/C15H22N2O2/c1-2-3-4-6-12-14(17-10-5-7-13(17)18)15(19-16-12)11-8-9-11/h11H,2-10H2,1H3
InChIKeyCGNWZCJYYMABMV-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.41
Rot. Bonds6

About 1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one

1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one (PubChem CID 155428853) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one
PubChem CID155428853
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one
SMILESCCCCCc1noc(C2CC2)c1N1CCCC1=O
InChIInChI=1S/C15H22N2O2/c1-2-3-4-6-12-14(17-10-5-7-13(17)18)15(19-16-12)11-8-9-11/h11H,2-10H2,1H3
InChIKeyCGNWZCJYYMABMV-UHFFFAOYSA-N
XLogP3.41
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one (CID 155428853) is 1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one is CCCCCc1noc(C2CC2)c1N1CCCC1=O.
What is the InChIKey of 1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one?
The InChIKey is CGNWZCJYYMABMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-4-6-12-14(17-10-5-7-13(17)18)15(19-16-12)11-8-9-11/h11H,2-10H2,1H3.
What are the key properties of 1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one?
1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-3-pentyl-1,2-oxazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 155428853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).